(2S)-1-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]azetidin-1-yl]-3-methoxypropan-2-ol

C13H21N3O4 — CID 154797676

IUPAC(2S)-1-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]azetidin-1-yl]-3-methoxypropan-2-ol
SMILESCOC[C@@H](O)CN1CC(OCc2nc(C3CC3)no2)C1
InChIInChI=1S/C13H21N3O4/c1-18-7-10(17)4-16-5-11(6-16)19-8-12-14-13(15-20-12)9-2-3-9/h9-11,17H,2-8H2,1H3/t10-/m0/s1
InChIKeyRFTATZKGIQSBSF-JTQLQIEISA-N
MW283.33 g/mol
LogP0.16
Rot. Bonds8

About (2S)-1-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]azetidin-1-yl]-3-methoxypropan-2-ol

(2S)-1-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]azetidin-1-yl]-3-methoxypropan-2-ol (PubChem CID 154797676) has the molecular formula C13H21N3O4 and a molecular weight of 283.33 g/mol. Its IUPAC name is (2S)-1-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]azetidin-1-yl]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name(2S)-1-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]azetidin-1-yl]-3-methoxypropan-2-ol
PubChem CID154797676
Molecular FormulaC13H21N3O4
Molecular Weight283.33 g/mol
Exact Mass283.15
IUPAC Name(2S)-1-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]azetidin-1-yl]-3-methoxypropan-2-ol
SMILESCOC[C@@H](O)CN1CC(OCc2nc(C3CC3)no2)C1
InChIInChI=1S/C13H21N3O4/c1-18-7-10(17)4-16-5-11(6-16)19-8-12-14-13(15-20-12)9-2-3-9/h9-11,17H,2-8H2,1H3/t10-/m0/s1
InChIKeyRFTATZKGIQSBSF-JTQLQIEISA-N
XLogP0.16
TPSA80.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]azetidin-1-yl]-3-methoxypropan-2-ol?
The IUPAC name of (2S)-1-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]azetidin-1-yl]-3-methoxypropan-2-ol (CID 154797676) is (2S)-1-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]azetidin-1-yl]-3-methoxypropan-2-ol.
What is the SMILES notation for (2S)-1-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]azetidin-1-yl]-3-methoxypropan-2-ol?
The canonical SMILES for (2S)-1-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]azetidin-1-yl]-3-methoxypropan-2-ol is COC[C@@H](O)CN1CC(OCc2nc(C3CC3)no2)C1.
What is the InChIKey of (2S)-1-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]azetidin-1-yl]-3-methoxypropan-2-ol?
The InChIKey is RFTATZKGIQSBSF-JTQLQIEISA-N. The full InChI is InChI=1S/C13H21N3O4/c1-18-7-10(17)4-16-5-11(6-16)19-8-12-14-13(15-20-12)9-2-3-9/h9-11,17H,2-8H2,1H3/t10-/m0/s1.
What are the key properties of (2S)-1-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]azetidin-1-yl]-3-methoxypropan-2-ol?
(2S)-1-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]azetidin-1-yl]-3-methoxypropan-2-ol has a molecular weight of 283.33 g/mol, XLogP of 0.16, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]azetidin-1-yl]-3-methoxypropan-2-ol is sourced from PubChem (CID 154797676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).